diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate

C60H83N7O14P2Si2 — CID 160557257

IUPACdiethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate
SMILESCC[NH2+]CC.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)oc2ccccc12.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)([O-])O)oc2ccccc12
InChIInChI=1S/C33H48N3O7PSi2.C23H24N3O7P.C4H11N/c1-25-28-11-9-10-12-29(28)43-30(25)23-35(2)31(37)15-13-26-21-27-14-16-32(38)36(33(27)34-22-26)24-42-44(39,40-17-19-45(3,4)5)41-18-20-46(6,7)8;1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31;1-3-5-4-2/h9-13,15,21-22H,14,16-20,23-24H2,1-8H3;3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31);5H,3-4H2,1-2H3/b15-13+;9-7+;
InChIKeyQYVRHXYVIDVRNX-SRDHBTMBSA-N
MW1244.48 g/mol
LogP9.99
Rot. Bonds24

About diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate

diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate (PubChem CID 160557257) has the molecular formula C60H83N7O14P2Si2 and a molecular weight of 1244.48 g/mol. Its IUPAC name is diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Namediethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate
PubChem CID160557257
Molecular FormulaC60H83N7O14P2Si2
Molecular Weight1244.48 g/mol
Exact Mass1243.50
IUPAC Namediethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate
SMILESCC[NH2+]CC.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)oc2ccccc12.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)([O-])O)oc2ccccc12
InChIInChI=1S/C33H48N3O7PSi2.C23H24N3O7P.C4H11N/c1-25-28-11-9-10-12-29(28)43-30(25)23-35(2)31(37)15-13-26-21-27-14-16-32(38)36(33(27)34-22-26)24-42-44(39,40-17-19-45(3,4)5)41-18-20-46(6,7)8;1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31;1-3-5-4-2/h9-13,15,21-22H,14,16-20,23-24H2,1-8H3;3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31);5H,3-4H2,1-2H3/b15-13+;9-7+;
InChIKeyQYVRHXYVIDVRNX-SRDHBTMBSA-N
XLogP9.99
TPSA264.26 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001244.48
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate with MolForge

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Related Compounds

methane;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate;tris(2-hydroxyethyl)azanium
CID 157467231
diazanium bis([6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl phosphate)
CID 160871040
methyl [6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate
CID 138565150
methylaminomethyl [6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate
CID 135264828
bis(2-aminoethanol);[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphate
CID 72703826
sodium hydroxy-[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]phosphinate
CID 25029348
[8-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-4-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepin-5-yl]methyl dihydrogen phosphate
CID 146571748
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[8-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphetan-2-yl)oxymethyl]-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]prop-2-enamide
CID 138565194
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;propane
CID 164917787
methanesulfonic acid;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 173018181
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 66966887
(E)-3-(6-hydroxy-6-methyl-7-oxo-5,8-dihydro-1,8-naphthyridin-3-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 146571858

Frequently Asked Questions

What is the IUPAC name of diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate?
The IUPAC name of diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate (CID 160557257) is diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate.
What is the SMILES notation for diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate?
The canonical SMILES for diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate is CC[NH2+]CC.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)oc2ccccc12.Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)([O-])O)oc2ccccc12.
What is the InChIKey of diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate?
The InChIKey is QYVRHXYVIDVRNX-SRDHBTMBSA-N. The full InChI is InChI=1S/C33H48N3O7PSi2.C23H24N3O7P.C4H11N/c1-25-28-11-9-10-12-29(28)43-30(25)23-35(2)31(37)15-13-26-21-27-14-16-32(38)36(33(27)34-22-26)24-42-44(39,40-17-19-45(3,4)5)41-18-20-46(6,7)8;1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31;1-3-5-4-2/h9-13,15,21-22H,14,16-20,23-24H2,1-8H3;3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31);5H,3-4H2,1-2H3/b15-13+;9-7+;.
What are the key properties of diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate?
diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate has a molecular weight of 1244.48 g/mol, XLogP of 9.99, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl bis(2-trimethylsilylethyl) phosphate;[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl hydrogen phosphate is sourced from PubChem (CID 160557257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).